CID 65547861

3-(1h-1,2,4-triazol-3-yl)morpholine

Structural Information

Molecular Formula

C₆H₁₀N₄O

SMILES

C1COCC(N1)C2=NC=NN2

InChI

InChI=1S/C6H10N4O/c1-2-11-3-5(7-1)6-8-4-9-10-6/h4-5,7H,1-3H2,(H,8,9,10)

InChIKey

PITAOAMPNWOWCJ-UHFFFAOYSA-N

Compound name

3-(1H-1,2,4-triazol-5-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.08546 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.092736	132.5
[M+Na]+	177.074678	138.6
[M-H]-	153.078184	130.9
[M+NH4]+	172.119283	146.4
[M+K]+	193.048618	136.6
[M+H-H2O]+	137.082720	123.3
[M+HCOO]-	199.083661	146.8
[M+CH3COO]-	213.099311	143.1
[M+Na-2H]-	175.060126	138.3
[M]+	154.08491142	125.5
[M]-	154.08600858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe